[gmx-users] grompp error

[Viswanadham Sridhara]

Hi,
What do you mean when you said,
Gromacs is compatible only with emacs...
I use vi editor and I never had problems till now...
Is it something about the new version or was it the case with previous
versions too....

Cheers,

On 10/14/05, Erik Lindahl <lindahl at sbc.su.se> wrote:
>
> Hi Ken,
> Please try it with the released 3.3 version - we've ironed out quite a few
> bugs since the beta you're using.
>
> Also, any bugs reported against 3.3 the next week or so will be fixed
> almost instantly so we can release a more stable 3.3.1.
>
> Cheers,
>
> Erik
>
> On Oct 14, 2005, at 9:19 PM, Ken Rotondi wrote:
>
> Hello All,
>
> Okay, I'm going to scream. I've made up a .gro and .top file for a system
> I'm working on. I e-minimized and equilibrated the system successfully. I'm
> trying to start the run (using the same .top file I used in the set-up) and
> I receive a grompp error:
>
> _______________________________________________
> Program grompp, VERSION 3.3_beta_20050202
> Source code file: grompp.c, line: 427
>
> Fatal error:
> number of coordinates in coordinate file (x.gro, 172177)
> does not match topology (x.top, 0)
> _______________________________________________
>
> Also lots of strange chatter in the output, such as:
> ' for variable ns-type, using 'Grid'
> Next time use one of: 'Grid' 'Simple'
> There are 10 of these 'warnings' and in each case the variable used is one
> of the available variables.
>
> The big problem is that the end of the .top file, quite clearly the
> [molecules] section shows 1 protein and 56926 SOL
>
> I've checked all the input files in vi, they're all clean text
>
>
> Ah, that explains it. Gromacs is only compatible with emacs ;-)
>
> Cheers,
>
> Erik
>
> -----------------------------------------------------------
> Erik Lindahl <lindahl at sbc.su.se>
> Assistant Professor, Stockholm Bioinformatics Center
> Stockholm University, SE 106 91 Stockholm
> Phone: +46 8 5537 8564 Fax: +46 8 5537 8214
>
>
>
>
>
> _______________________________________________
> gmx-users mailing list
> gmx-users at gromacs.org
> http://www.gromacs.org/mailman/listinfo/gmx-users
> Please don't post (un)subscribe requests to the list. Use the
> www interface or send it to gmx-users-request at gromacs.org.
>
>


--
Viswanadham Sridhara,
Graduate Research Assistant,
Old Dominion University, "VIRGINIA".
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20051014/d94a4824/attachment.html>